REAL300013458583.mol2 37                                                        
   1       O    -0.70   -25.75    18.00     -20.23      -0.36   -26.12     16
   2       C     0.50    16.27     6.99      36.01       0.25    16.52     16
   3       O    -0.70   -24.70    17.28     -20.22      -0.35   -25.05     16
   4       C    -0.16    -3.79     2.58     -91.77      -0.24    -4.02     16
   5       C    -0.09    -1.83     4.92     -26.73      -0.13    -1.96     16
   6       C    -0.12    -1.76     5.39     -26.73      -0.14    -1.90     16
   7       C     0.16     2.30     2.45     -67.93      -0.17     2.13     16
   8       N    -0.73    -7.73     5.08     -58.68      -0.30    -8.03     16
   9       C     0.70     8.01     8.34     -86.92      -0.73     7.28     16
  10       O    -0.56    -8.01    13.40       5.29       0.07    -7.94     16
  11       N    -0.67    -5.90     5.34     -12.63      -0.07    -5.96     16
  12       C     0.23     2.04     6.51     -81.29      -0.53     1.51     16
  13       C    -0.13    -0.95     8.55     -39.97      -0.34    -1.29     16
  14       C    -0.02    -0.08     9.83     -40.14      -0.39    -0.48     16
  15       C    -0.11    -0.57    10.27     -37.01      -0.38    -0.95     16
  16       C     0.19     1.74     7.36     -79.59      -0.59     1.16     16
  17       C     0.15     1.56     7.34     -79.31      -0.58     0.98     16
  18       N    -0.37    -4.74    19.00      35.14       0.67    -4.08     16
  19       N    -0.30    -3.53    19.04      34.97       0.67    -2.86     16
  20       C    -0.12    -2.04     5.50     -26.73      -0.15    -2.18     16
  21       C    -0.09    -1.96     5.18     -26.74      -0.14    -2.10     16
  22       H     0.06     1.41     8.14     -51.93      -0.42     0.99     16
  23       H     0.07     1.54     7.87     -51.93      -0.41     1.13     16
  24       H     0.06     1.22     8.14     -51.93      -0.42     0.79     16
  25       H     0.06     0.77     8.14     -51.93      -0.42     0.34     16
  26       H     0.06     0.83     8.14     -51.93      -0.42     0.41     16
  27       H     0.09     1.49     7.58     -51.93      -0.39     1.09     16
  28       H     0.40     3.06     8.62     -40.82      -0.35     2.71     16
  29       H     0.41     2.77     8.84     -40.82      -0.36     2.41     16
  30       H     0.17     1.41     6.03     -52.49      -0.32     1.09     16
  31       H     0.15     0.18     8.06     -52.48      -0.42    -0.24     16
  32       H     0.16     0.37     8.06     -52.49      -0.42    -0.05     16
  33       H     0.06     0.92     8.14     -51.93      -0.42     0.49     16
  34       H     0.06     1.01     8.14     -51.93      -0.42     0.59     16
  35       H     0.06     1.42     8.14     -51.93      -0.42     1.00     16
  36       H     0.06     1.32     8.14     -51.93      -0.42     0.89     16
 Total:         -1.00   -41.70   308.57                 -5.34   -47.03